[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-phenyl-1,3-thiazole-4-carboxylate

C19H13F2N3O2S — CID 55507798

IUPAC[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-phenyl-1,3-thiazole-4-carboxylate
SMILESO=C(OCc1nc2ccccc2n1C(F)F)c1csc(-c2ccccc2)n1
InChIInChI=1S/C19H13F2N3O2S/c20-19(21)24-15-9-5-4-8-13(15)22-16(24)10-26-18(25)14-11-27-17(23-14)12-6-2-1-3-7-12/h1-9,11,19H,10H2
InChIKeySUQICVFIBDVHOR-UHFFFAOYSA-N
MW385.40 g/mol
LogP4.91
Rot. Bonds5

About [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-phenyl-1,3-thiazole-4-carboxylate

[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-phenyl-1,3-thiazole-4-carboxylate (PubChem CID 55507798) has the molecular formula C19H13F2N3O2S and a molecular weight of 385.40 g/mol. Its IUPAC name is [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-phenyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-phenyl-1,3-thiazole-4-carboxylate
PubChem CID55507798
Molecular FormulaC19H13F2N3O2S
Molecular Weight385.40 g/mol
Exact Mass385.07
IUPAC Name[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-phenyl-1,3-thiazole-4-carboxylate
SMILESO=C(OCc1nc2ccccc2n1C(F)F)c1csc(-c2ccccc2)n1
InChIInChI=1S/C19H13F2N3O2S/c20-19(21)24-15-9-5-4-8-13(15)22-16(24)10-26-18(25)14-11-27-17(23-14)12-6-2-1-3-7-12/h1-9,11,19H,10H2
InChIKeySUQICVFIBDVHOR-UHFFFAOYSA-N
XLogP4.91
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-propan-2-ylbenzoate
CID 16624687
[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-propan-2-yloxybenzoate
CID 16610071
[1-(difluoromethyl)benzimidazol-2-yl]methyl 1-methylpyrazole-4-carboxylate
CID 16625572
[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-hydroxy-3-methylbenzoate
CID 16624884
[1-(difluoromethyl)benzimidazol-2-yl]methyl 5,6-dichloropyridine-3-carboxylate
CID 16624802
[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-(4-methoxyphenyl)acetate
CID 16624713
(5-bromothiophen-3-yl)methyl 2-phenyl-1,3-thiazole-4-carboxylate
CID 55704837
[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-[methyl(phenyl)sulfamoyl]benzoate
CID 16624937
[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-fluoro-5-sulfamoylbenzoate
CID 18271109
[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-(difluoromethoxy)-3-methoxybenzoate
CID 16610074
2-O-[[1-(difluoromethyl)benzimidazol-2-yl]methyl] 4-O-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 16625318
[1-(difluoromethyl)benzimidazol-2-yl]methyl (E)-3-quinoxalin-2-ylprop-2-enoate
CID 16625271

Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-phenyl-1,3-thiazole-4-carboxylate?
The IUPAC name of [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-phenyl-1,3-thiazole-4-carboxylate (CID 55507798) is [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-phenyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-phenyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-phenyl-1,3-thiazole-4-carboxylate is O=C(OCc1nc2ccccc2n1C(F)F)c1csc(-c2ccccc2)n1.
What is the InChIKey of [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-phenyl-1,3-thiazole-4-carboxylate?
The InChIKey is SUQICVFIBDVHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N3O2S/c20-19(21)24-15-9-5-4-8-13(15)22-16(24)10-26-18(25)14-11-27-17(23-14)12-6-2-1-3-7-12/h1-9,11,19H,10H2.
What are the key properties of [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-phenyl-1,3-thiazole-4-carboxylate?
[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-phenyl-1,3-thiazole-4-carboxylate has a molecular weight of 385.40 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-phenyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 55507798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).